==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 28-MAY-92 1GSS . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.REINEMER,H.W.DIRR,R.LADENSTEIN,M.LOBELLO,G.FEDERICI,R.HUBE . 420 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17752.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 77.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 24 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 3 1 1 0 2 1 1 2 0 0 0 2 0 0 0 0 0 0 0 0 2 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A P 0 0 94 0, 0.0 2,-0.1 0, 0.0 56,-0.1 0.000 360.0 360.0 360.0-175.8 40.7 49.6 29.2 2 2 A P - 0 0 107 0, 0.0 56,-2.4 0, 0.0 2,-0.4 0.731 360.0-137.1 -61.9 166.7 43.0 51.5 28.2 3 3 A Y E -aB 28 57A 4 24,-0.7 26,-2.6 54,-0.2 2,-0.4 -0.850 20.3-173.4-101.8 132.2 41.2 53.3 25.4 4 4 A T E -aB 29 56A 25 52,-2.1 52,-2.5 -2,-0.4 2,-0.5 -0.995 7.8-160.1-130.1 124.8 42.7 54.2 22.0 5 5 A V E -aB 30 55A 1 24,-2.1 26,-3.6 -2,-0.4 2,-0.5 -0.909 3.4-165.2-103.0 129.9 40.8 56.3 19.5 6 6 A V E +aB 31 54A 0 48,-2.6 48,-1.9 -2,-0.5 2,-0.2 -0.995 36.3 124.1-115.5 112.3 42.0 55.9 15.9 7 7 A Y E -a 32 0A 6 24,-1.5 26,-2.9 -2,-0.5 4,-0.0 -0.921 61.2 -82.4-158.7 178.4 40.6 58.8 13.7 8 8 A F - 0 0 20 -2,-0.2 2,-2.5 24,-0.2 26,-0.2 -0.525 60.0 -88.1 -87.8 164.3 41.5 61.7 11.3 9 9 A P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 196,-0.1 -0.355 98.5 94.6 -71.1 66.2 42.7 65.1 12.9 10 10 A V S S- 0 0 9 -2,-2.5 193,-0.2 1,-0.2 4,-0.2 -0.980 73.4-133.9-152.3 151.2 39.1 66.4 13.1 11 11 A R >> + 0 0 39 191,-2.6 3,-2.3 -2,-0.3 4,-0.6 0.973 67.8 116.7 -70.0 -72.3 36.5 66.4 15.9 12 12 A G T 34 S- 0 0 12 191,-1.2 4,-0.3 1,-0.3 3,-0.2 -0.206 88.1 -1.0 48.9-109.4 33.7 65.3 13.7 13 13 A R T 34 S+ 0 0 18 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.390 130.4 55.4-101.2 -3.5 32.5 61.9 15.0 14 14 A C T <> S+ 0 0 0 -3,-2.3 4,-1.8 -4,-0.2 5,-0.2 0.524 82.8 91.2 -97.1 -2.5 34.8 61.2 17.9 15 15 A A H X S+ 0 0 1 -4,-0.6 4,-2.3 1,-0.2 5,-0.1 0.911 86.1 47.9 -60.0 -41.7 33.9 64.5 19.6 16 16 A A H > S+ 0 0 6 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.945 111.7 45.5 -70.1 -50.8 31.1 63.0 21.7 17 17 A L H > S+ 0 0 3 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.786 112.9 54.7 -63.9 -18.2 32.9 59.9 23.0 18 18 A R H X S+ 0 0 12 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.924 108.8 46.6 -78.6 -38.1 35.9 62.2 23.8 19 19 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.920 112.7 52.6 -60.7 -43.8 33.7 64.5 25.8 20 20 A L H >X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 3,-0.5 0.974 112.1 41.2 -55.3 -67.5 32.2 61.4 27.5 21 21 A L H 3<>S+ 0 0 0 -4,-2.0 5,-2.9 1,-0.2 -1,-0.2 0.775 116.4 52.5 -57.8 -31.7 35.5 59.8 28.7 22 22 A A H ><5S+ 0 0 13 -4,-1.9 3,-1.1 3,-0.2 -1,-0.2 0.874 111.3 44.6 -69.9 -37.8 36.8 63.3 29.6 23 23 A D H <<5S+ 0 0 13 -4,-2.5 -2,-0.2 -3,-0.5 -1,-0.2 0.779 112.1 52.1 -77.6 -21.5 33.8 64.2 31.8 24 24 A Q T 3<5S- 0 0 66 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.1 -0.030 119.8-110.3-102.6 23.4 33.9 60.8 33.4 25 25 A G T < 5S+ 0 0 38 -3,-1.1 -3,-0.2 1,-0.2 2,-0.1 0.632 70.1 141.5 58.4 19.6 37.6 61.2 34.3 26 26 A Q < - 0 0 66 -5,-2.9 2,-0.4 -6,-0.2 -1,-0.2 -0.471 38.1-146.0 -88.1 162.8 38.9 58.6 31.8 27 27 A S + 0 0 93 -2,-0.1 -24,-0.7 2,-0.0 2,-0.3 -0.966 15.9 179.9-133.2 150.0 42.0 58.8 29.7 28 28 A W E -a 3 0A 41 -2,-0.4 2,-0.5 -26,-0.1 -24,-0.2 -0.913 29.9-117.1-142.1 158.1 42.8 57.5 26.3 29 29 A K E -a 4 0A 160 -26,-2.6 -24,-2.1 -2,-0.3 2,-0.7 -0.915 27.3-144.0 -95.2 126.7 45.6 57.4 23.6 30 30 A E E -a 5 0A 53 -2,-0.5 2,-0.6 -26,-0.2 -24,-0.2 -0.886 9.5-161.3 -87.3 114.2 44.7 59.3 20.5 31 31 A E E -a 6 0A 101 -26,-3.6 -24,-1.5 -2,-0.7 2,-0.6 -0.907 18.3-147.9 -89.1 112.2 46.2 57.4 17.4 32 32 A V E -a 7 0A 93 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.760 11.1-162.4 -92.8 118.6 46.2 60.1 14.7 33 33 A V - 0 0 8 -26,-2.9 2,-0.2 -2,-0.6 -2,-0.0 -0.826 8.9-153.3-104.1 118.9 45.7 59.0 11.1 34 34 A T > - 0 0 54 -2,-0.6 4,-2.1 -26,-0.2 5,-0.2 -0.523 29.7-111.9 -81.0 162.5 46.6 61.5 8.5 35 35 A V H > S+ 0 0 98 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.920 120.9 60.7 -62.8 -32.5 45.1 61.6 5.0 36 36 A E H > S+ 0 0 127 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.900 106.8 43.4 -60.4 -40.1 48.5 60.5 3.9 37 37 A T H 4 S+ 0 0 71 2,-0.2 6,-0.5 1,-0.2 5,-0.3 0.814 113.8 50.2 -75.5 -30.6 48.2 57.3 5.9 38 38 A W H >< S+ 0 0 31 -4,-2.1 3,-1.2 1,-0.2 6,-0.3 0.919 110.6 51.9 -70.0 -38.1 44.6 56.7 4.8 39 39 A Q H 3< S+ 0 0 134 -4,-3.2 2,-0.3 1,-0.3 -2,-0.2 0.929 96.1 66.7 -65.4 -45.8 45.8 57.2 1.3 40 39AA E T 3< S- 0 0 117 -4,-2.4 2,-1.6 -5,-0.2 -1,-0.3 0.248 100.2-140.4 -71.8 20.6 48.6 54.6 1.7 41 39BA G S <> S+ 0 0 38 -3,-1.2 4,-1.5 -2,-0.3 -1,-0.1 0.080 70.2 102.5 66.7 -21.4 45.8 52.0 2.0 42 40 A S T 4 S+ 0 0 94 -2,-1.6 4,-0.4 -5,-0.3 -1,-0.2 0.946 82.6 49.4 -69.6 -41.3 46.8 49.5 4.8 43 41 A L T >> S+ 0 0 31 -6,-0.5 3,-2.2 1,-0.2 4,-2.0 0.939 107.5 55.5 -61.6 -47.2 44.5 50.8 7.6 44 42 A K T 34 S+ 0 0 81 1,-0.3 6,-0.3 -6,-0.3 -1,-0.2 0.902 103.0 54.5 -55.6 -39.3 41.4 50.9 5.4 45 43 A A T 3< S+ 0 0 92 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.592 110.5 48.1 -73.6 -10.5 41.8 47.2 4.5 46 44 A S T <4 S+ 0 0 79 -3,-2.2 -1,-0.2 -4,-0.4 -2,-0.2 0.772 90.4 87.9 -90.8 -45.1 41.8 46.5 8.3 47 45 A C S >< S- 0 0 7 -4,-2.0 3,-1.4 1,-0.1 5,-0.1 -0.381 79.2-134.9 -55.9 130.3 38.8 48.6 9.3 48 46 A L T 3 S+ 0 0 28 1,-0.3 -1,-0.1 2,-0.1 293,-0.1 0.870 101.6 33.0 -61.2 -38.7 35.6 46.4 8.9 49 47 A Y T 3 S- 0 0 39 2,-0.3 -1,-0.3 289,-0.1 3,-0.1 0.020 112.7-111.0-105.5 28.3 33.4 49.0 7.1 50 48 A G S < S+ 0 0 19 -3,-1.4 2,-0.2 -6,-0.3 -3,-0.1 0.393 89.5 84.3 63.1 -8.5 36.4 50.6 5.3 51 49 A Q - 0 0 57 2,-0.1 -2,-0.3 -7,-0.0 -1,-0.2 -0.549 68.9 -86.0-119.5-173.7 35.9 53.8 7.4 52 50 A L S S+ 0 0 1 -2,-0.2 2,-0.2 -3,-0.1 -45,-0.1 -0.946 70.8 81.9-129.3 151.6 36.9 55.3 10.8 53 51 A P + 0 0 3 0, 0.0 11,-1.2 0, 0.0 2,-0.3 0.187 53.3 179.6 -84.6 155.8 36.6 55.8 14.0 54 52 A K E -BC 6 63A 30 -48,-1.9 -48,-2.6 -2,-0.2 2,-0.4 -0.945 7.6-165.1-125.8 139.8 38.2 52.6 15.2 55 53 A F E -BC 5 62A 2 7,-2.4 7,-2.6 -2,-0.3 2,-0.5 -0.996 13.1-157.8-140.7 131.7 38.4 52.2 19.1 56 54 A Q E +BC 4 61A 49 -52,-2.5 -52,-2.1 -2,-0.4 2,-0.6 -0.974 11.6 175.6-114.5 120.2 40.3 49.9 21.3 57 55 A D E > S-BC 3 60A 19 3,-2.0 3,-1.9 -2,-0.5 2,-0.4 -0.913 70.4 -67.9-116.2 89.8 39.0 49.2 24.8 58 56 A G T 3 S+ 0 0 31 -56,-2.4 -54,-0.0 -2,-0.6 -1,-0.0 -0.373 124.0 1.6 65.1-116.2 41.5 46.6 26.0 59 57 A D T 3 S+ 0 0 167 -2,-0.4 2,-0.5 -58,-0.1 -1,-0.3 0.565 117.2 87.7 -81.5 -7.7 40.9 43.5 24.0 60 58 A L E < -C 57 0A 21 -3,-1.9 -3,-2.0 2,-0.0 2,-0.5 -0.826 51.1-169.1 -96.5 128.2 38.1 45.0 21.8 61 59 A T E -C 56 0A 50 -2,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.938 21.5-174.1-108.8 131.3 38.5 46.8 18.6 62 60 A L E -C 55 0A 0 -7,-2.6 -7,-2.4 -2,-0.5 2,-0.4 -0.986 12.1-157.5-131.9 139.5 35.2 48.3 17.7 63 61 A Y E +C 54 0A 26 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.892 53.8 54.9-111.8 159.0 34.2 50.2 14.7 64 62 A Q S >> S- 0 0 6 -11,-1.2 3,-1.3 -2,-0.4 4,-1.3 0.775 70.8-119.3 88.6 115.8 31.3 52.6 14.2 65 63 A S H >> S+ 0 0 7 356,-1.1 4,-2.0 1,-0.3 3,-1.6 0.902 109.8 44.5 -47.4 -73.7 30.8 55.8 16.4 66 64 A N H 3> S+ 0 0 9 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.683 110.4 57.8 -52.1 -16.7 27.3 55.1 17.9 67 65 A T H <> S+ 0 0 0 -3,-1.3 4,-1.6 2,-0.2 -1,-0.3 0.828 109.4 44.0 -76.9 -33.5 28.4 51.4 18.7 68 66 A I H S+ 0 0 1 -4,-2.2 5,-2.5 -5,-0.3 6,-0.5 0.939 111.9 42.4 -65.3 -45.6 27.2 53.5 28.1 74 72 A R H ><5S+ 0 0 66 -4,-2.0 3,-0.6 -5,-0.2 -2,-0.2 0.933 124.0 39.2 -63.7 -39.2 26.7 49.8 28.8 75 73 A T H 3<5S+ 0 0 40 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.909 119.9 39.2 -84.1 -44.2 30.2 49.7 30.4 76 74 A L T 3<5S- 0 0 37 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.121 114.4-108.2 -96.6 30.7 30.6 53.0 32.4 77 75 A G T < 5S+ 0 0 48 -3,-0.6 -3,-0.2 1,-0.1 -4,-0.2 0.868 79.4 129.0 43.5 54.0 26.9 52.8 33.5 78 76 A L < + 0 0 6 -5,-2.5 72,-2.3 -6,-0.3 73,-0.3 -0.163 40.7 89.3-126.3 42.3 25.7 55.7 31.3 79 77 A Y S S- 0 0 23 -6,-0.5 10,-0.2 1,-0.4 70,-0.1 -0.128 100.2 -93.7-126.9 34.1 22.6 54.0 29.6 80 78 A G - 0 0 22 68,-0.4 -1,-0.4 -3,-0.1 65,-0.1 0.156 38.4 -86.6 72.1 169.8 20.1 55.0 32.3 81 79 A K S S+ 0 0 123 -3,-0.1 2,-0.3 66,-0.1 -1,-0.1 0.681 96.0 21.3 -92.3 -20.4 18.9 53.1 35.3 82 80 A D S >> S- 0 0 68 -3,-0.1 4,-1.4 1,-0.0 3,-0.5 -0.943 87.6 -88.3-143.7 168.2 16.0 50.9 34.1 83 81 A Q H 3> S+ 0 0 109 -2,-0.3 4,-1.8 1,-0.3 5,-0.2 0.704 124.6 49.0 -42.9 -42.3 14.5 49.3 30.8 84 82 A Q H 3> S+ 0 0 101 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.935 109.7 52.9 -68.8 -46.1 12.4 52.4 30.0 85 83 A E H <> S+ 0 0 13 -3,-0.5 4,-2.2 1,-0.2 -2,-0.2 0.844 108.9 50.7 -61.1 -30.3 15.4 54.7 30.5 86 84 A A H X S+ 0 0 9 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.970 108.6 47.9 -78.3 -47.8 17.5 52.6 28.1 87 85 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.860 114.5 49.9 -59.7 -33.1 14.9 52.6 25.2 88 86 A L H X S+ 0 0 43 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.906 108.3 49.6 -74.7 -36.7 14.6 56.3 25.7 89 87 A V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 3,-0.5 0.948 115.3 46.3 -66.7 -40.0 18.3 57.1 25.6 90 88 A D H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.945 108.3 55.2 -57.5 -50.4 18.6 55.0 22.5 91 89 A M H X S+ 0 0 6 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.780 113.5 43.6 -56.1 -22.7 15.5 56.8 21.0 92 90 A V H X S+ 0 0 1 -4,-1.3 4,-2.4 -3,-0.5 -1,-0.2 0.849 112.0 48.5 -91.7 -40.5 17.3 60.1 21.6 93 91 A N H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.936 113.1 51.4 -65.8 -46.0 20.7 59.2 20.3 94 92 A D H X S+ 0 0 11 -4,-3.0 4,-1.9 2,-0.2 5,-0.2 0.977 108.0 49.9 -49.1 -59.4 18.9 57.8 17.2 95 93 A G H X S+ 0 0 5 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.896 112.1 51.1 -46.6 -38.7 17.0 61.0 16.7 96 94 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 3,-0.5 0.951 105.2 54.4 -65.5 -49.3 20.5 62.7 17.0 97 95 A E H X S+ 0 0 30 -4,-2.8 4,-3.0 1,-0.3 3,-0.3 0.874 104.0 55.6 -50.4 -50.6 22.1 60.4 14.4 98 96 A D H X S+ 0 0 44 -4,-1.9 4,-1.8 1,-0.3 -1,-0.3 0.872 111.6 43.3 -50.8 -48.6 19.4 61.3 11.8 99 97 A L H X S+ 0 0 3 -4,-1.5 4,-1.6 -3,-0.5 -1,-0.3 0.807 112.7 52.0 -72.6 -25.8 20.2 65.0 12.2 100 98 A R H X S+ 0 0 10 -4,-2.1 4,-2.8 -3,-0.3 -2,-0.2 0.926 105.7 56.3 -72.7 -39.0 24.1 64.3 12.2 101 99 A C H X S+ 0 0 45 -4,-3.0 4,-2.3 1,-0.2 5,-0.3 0.972 109.2 46.0 -53.9 -52.9 23.6 62.3 9.0 102 100 A K H X S+ 0 0 99 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.851 110.6 53.4 -64.6 -30.3 22.0 65.4 7.5 103 101 A Y H X S+ 0 0 5 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.927 110.2 46.2 -68.7 -42.2 24.8 67.7 8.9 104 102 A I H X S+ 0 0 34 -4,-2.8 4,-3.2 -3,-0.2 5,-0.3 0.902 111.0 51.8 -74.0 -36.2 27.6 65.5 7.3 105 103 A S H X>S+ 0 0 66 -4,-2.3 5,-1.2 -5,-0.2 4,-1.2 0.924 111.2 49.0 -58.8 -42.7 25.8 65.4 3.9 106 104 A L H X5S+ 0 0 12 -4,-2.2 4,-0.7 -5,-0.3 3,-0.4 0.988 118.0 41.5 -59.4 -45.8 25.6 69.2 4.2 107 105 A I H <5S+ 0 0 1 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.903 125.1 28.6 -72.9 -42.1 29.3 69.4 5.0 108 106 A Y H <5S+ 0 0 93 -4,-3.2 -1,-0.2 -5,-0.1 -3,-0.2 0.348 129.2 34.1-105.3 10.9 30.9 66.8 2.6 109 107 A T H <5S- 0 0 104 -4,-1.2 -3,-0.2 -3,-0.4 -2,-0.1 0.691 133.2 -11.1-127.6 -51.3 28.4 66.9 -0.3 110 108 A N X< + 0 0 87 -5,-1.2 4,-2.1 -4,-0.7 5,-0.2 -0.210 63.4 150.4-162.1 79.6 27.1 70.4 -0.8 111 109 A Y H > S+ 0 0 27 -4,-0.4 4,-3.0 3,-0.2 -4,-0.1 0.974 75.3 49.7 -62.4 -65.1 27.7 73.0 1.9 112 110 A E H 4 S+ 0 0 137 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.855 122.4 29.4 -50.0 -57.4 27.7 76.2 -0.2 113 111 A A H 4 S+ 0 0 82 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.812 124.4 47.7 -72.8 -34.3 24.5 75.6 -2.1 114 112 A G H X S+ 0 0 13 -4,-2.1 4,-1.8 -8,-0.2 3,-0.5 0.731 88.5 83.3 -84.5 -24.7 22.7 73.5 0.6 115 113 A K H >X S+ 0 0 52 -4,-3.0 4,-2.4 1,-0.2 3,-0.8 0.883 86.0 50.9 -48.7 -58.5 23.3 75.6 3.8 116 114 A D H 3> S+ 0 0 104 -4,-0.4 4,-1.0 1,-0.3 -1,-0.2 0.850 114.5 46.8 -54.6 -35.1 20.5 78.2 3.7 117 115 A D H 3> S+ 0 0 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7.0 248 38 B W H >< S+ 0 0 25 -4,-2.6 3,-0.7 1,-0.3 6,-0.3 0.904 104.2 59.0 -58.5 -40.7 -1.2 60.7 7.5 249 39 B Q H 3< S+ 0 0 160 -4,-2.4 2,-0.6 1,-0.3 -1,-0.3 0.772 83.3 80.8 -64.7 -21.9 -2.1 63.7 5.4 250 39AB E T << S- 0 0 142 -4,-1.0 2,-1.5 -3,-1.0 -1,-0.3 0.101 97.3-131.7 -76.4 25.7 -4.9 64.8 7.8 251 39BB G S <> S+ 0 0 44 -3,-0.7 4,-0.9 -2,-0.6 3,-0.4 -0.163 76.4 91.3 60.7 -31.5 -2.1 66.4 10.1 252 40 B S H >> S+ 0 0 82 -2,-1.5 4,-1.0 1,-0.2 3,-0.7 0.935 84.3 45.6 -71.3 -56.4 -2.7 65.1 13.8 253 41 B L H 3> S+ 0 0 47 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.626 107.6 57.9 -60.6 -25.8 -0.7 61.9 14.2 254 42 B K H 34 S+ 0 0 83 -3,-0.4 6,-0.4 -6,-0.3 -1,-0.3 0.850 109.0 47.1 -75.9 -32.6 2.4 63.3 12.6 255 43 B A H << S+ 0 0 89 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.754 111.3 51.1 -77.7 -27.6 2.3 66.0 15.2 256 44 B S H < S+ 0 0 73 -4,-1.0 2,-0.2 4,-0.1 -2,-0.2 0.749 93.2 88.1 -70.5 -36.7 1.7 63.3 17.9 257 45 B C S >< S- 0 0 4 -4,-1.5 3,-1.7 -5,-0.2 5,-0.1 -0.530 82.0-136.0 -65.4 132.4 4.8 61.4 16.6 258 46 B L T 3 S+ 0 0 33 1,-0.3 -1,-0.1 -2,-0.2 -127,-0.1 0.885 102.9 27.3 -59.3 -44.3 7.9 62.7 18.4 259 47 B Y T 3 S- 0 0 39 2,-0.2 -1,-0.3 -131,-0.1 3,-0.1 -0.071 110.3-112.3-104.9 21.8 9.9 62.8 15.3 260 48 B G S < S+ 0 0 12 -3,-1.7 2,-0.1 -6,-0.4 -3,-0.1 0.293 88.0 87.4 66.9 -12.4 7.1 63.4 12.7 261 49 B Q - 0 0 60 2,-0.1 -2,-0.2 -2,-0.0 -1,-0.2 -0.358 68.4 -72.4-113.1-173.4 7.7 59.9 11.3 262 50 B L S S+ 0 0 1 -2,-0.1 2,-0.2 -3,-0.1 -39,-0.2 -0.964 74.0 60.9-135.7 146.5 6.8 56.2 11.7 263 51 B P - 0 0 1 0, 0.0 11,-0.6 0, 0.0 2,-0.4 0.213 48.3-175.3 -83.7 177.0 6.9 53.4 13.1 264 52 B K E -EF 216 273B 32 -48,-0.9 -48,-2.7 -2,-0.2 2,-0.4 -0.966 10.4-162.3-131.8 127.5 5.4 53.9 16.6 265 53 B F E -EF 215 272B 0 7,-2.5 7,-2.4 -2,-0.4 2,-0.5 -0.937 7.5-163.2-113.0 145.9 5.7 50.8 18.7 266 54 B Q E +EF 214 271B 56 -52,-2.2 -52,-2.7 -2,-0.4 5,-0.2 -0.995 10.8 175.7-125.5 116.1 3.6 50.2 21.9 267 55 B D S S- 0 0 12 3,-2.9 2,-0.2 -2,-0.5 4,-0.1 0.662 71.5 -55.2 -91.8 -27.1 4.9 47.5 24.1 268 56 B G S S- 0 0 42 2,-0.5 -54,-0.0 -54,-0.1 0, 0.0 -0.457 121.6 -16.0-171.8 -93.6 2.6 47.8 27.1 269 57 B D S S+ 0 0 170 -2,-0.2 2,-0.5 -3,-0.1 0, 0.0 0.445 118.5 96.8-101.1 -11.3 2.6 51.3 28.4 270 58 B L - 0 0 25 2,-0.0 -3,-2.9 0, 0.0 2,-0.6 -0.700 56.0-164.4 -89.2 127.2 5.8 52.1 26.6 271 59 B T E -F 266 0B 47 -2,-0.5 2,-0.2 -5,-0.2 -5,-0.2 -0.963 14.8-173.4-115.7 112.1 5.5 53.9 23.3 272 60 B L E -F 265 0B 0 -7,-2.4 -7,-2.5 -2,-0.6 2,-0.3 -0.673 9.7-172.3-105.3 159.7 8.7 53.8 21.3 273 61 B Y E +F 264 0B 23 -2,-0.2 -9,-0.2 -9,-0.2 4,-0.1 -0.920 51.2 62.7-145.1 167.9 9.8 55.4 18.0 274 62 B Q S > S- 0 0 6 -11,-0.6 4,-2.3 149,-0.5 3,-0.3 0.664 75.3-124.3 71.5 121.8 12.9 55.0 15.7 275 63 B S H > S+ 0 0 5 148,-1.0 4,-1.8 1,-0.3 -1,-0.1 0.781 108.4 54.5 -74.6 -26.8 13.0 51.5 14.3 276 64 B N H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 -1,-0.3 0.892 107.1 51.9 -70.3 -37.5 16.4 50.7 15.5 277 65 B T H > S+ 0 0 0 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.959 108.6 52.6 -59.1 -48.5 15.4 51.7 19.0 278 66 B I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.890 111.5 45.0 -58.0 -40.8 12.4 49.4 18.7 279 67 B L H X S+ 0 0 6 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.929 112.1 50.5 -75.1 -38.2 14.6 46.5 17.7 280 68 B R H >X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 3,-1.3 0.966 110.2 52.7 -58.4 -52.3 17.3 47.2 20.4 281 69 B H H 3X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.3 5,-0.3 0.867 108.2 48.3 -51.3 -51.2 14.5 47.3 23.0 282 70 B L H 3X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.3 0.739 109.8 54.5 -66.9 -16.7 13.1 43.9 21.8 283 71 B G H S+ 0 0 1 -3,-1.3 5,-1.8 -4,-1.3 4,-0.6 0.851 112.0 42.9 -78.3 -37.1 16.7 42.5 22.0 284 72 B R H ><5S+ 0 0 68 -4,-2.0 3,-0.5 3,-0.2 -2,-0.2 0.988 122.1 39.7 -63.8 -62.0 17.1 43.6 25.7 285 73 B T H 3<5S+ 0 0 44 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.909 125.7 33.4 -53.2 -54.1 13.6 42.4 26.7 286 74 B L H 3<5S- 0 0 52 -4,-1.6 -1,-0.2 -5,-0.3 -3,-0.2 0.484 111.1-111.7 -90.6 -1.9 13.4 39.2 24.7 287 75 B G T <<5S+ 0 0 50 -4,-0.6 -3,-0.2 -3,-0.5 2,-0.2 0.927 73.4 132.3 77.8 45.2 17.1 38.3 25.0 288 76 B L < + 0 0 4 -5,-1.8 72,-1.8 -6,-0.2 73,-0.2 -0.554 46.2 89.8-120.4 58.5 18.2 38.7 21.4 289 77 B Y S S- 0 0 24 1,-0.7 3,-0.2 -6,-0.2 -1,-0.1 -0.063 97.4 -80.4-154.1 42.9 21.3 40.8 22.2 290 78 B G - 0 0 30 68,-0.3 -1,-0.7 1,-0.2 3,-0.1 -0.202 39.1-101.9 82.7 175.6 24.2 38.5 22.7 291 79 B K S S+ 0 0 144 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.239 98.1 19.6-119.7 12.3 25.1 36.6 25.7 292 80 B D S > S- 0 0 66 -3,-0.2 4,-1.9 1,-0.0 5,-0.1 -0.961 90.9 -91.4-168.4 172.6 27.9 38.9 27.0 293 81 B Q H > S+ 0 0 101 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.750 120.0 56.1 -80.4 -16.3 29.0 42.5 26.5 294 82 B Q H > S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.983 111.5 43.5 -67.7 -61.3 31.5 41.7 23.7 295 83 B E H > S+ 0 0 21 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.862 111.8 55.6 -49.5 -40.0 28.7 40.1 21.6 296 84 B A H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.974 108.1 47.4 -61.6 -46.5 26.4 42.9 22.5 297 85 B A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.3 -2,-0.2 0.900 113.6 49.0 -61.8 -39.2 28.9 45.4 21.1 298 86 B L H X S+ 0 0 49 -4,-2.6 4,-2.9 2,-0.2 -1,-0.3 0.894 106.6 52.4 -72.4 -35.5 29.2 43.3 18.1 299 87 B V H X S+ 0 0 1 -4,-3.0 4,-3.1 1,-0.2 5,-0.3 0.915 111.8 50.3 -70.0 -31.9 25.4 43.0 17.4 300 88 B D H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.970 110.6 49.3 -58.6 -47.9 25.5 46.8 17.7 301 89 B M H < S+ 0 0 12 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.880 114.8 43.8 -58.3 -45.7 28.3 46.8 15.2 302 90 B V H >X S+ 0 0 1 -4,-2.9 3,-2.5 2,-0.2 4,-2.0 0.967 111.7 50.1 -70.9 -52.7 26.5 44.6 12.8 303 91 B N H 3X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.3 -2,-0.2 0.954 109.5 53.6 -57.1 -40.3 23.0 46.3 13.1 304 92 B D H 3X S+ 0 0 16 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.3 0.580 106.7 54.6 -64.5 -11.8 24.7 49.7 12.4 305 93 B G H <> S+ 0 0 5 -3,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.865 109.6 43.6 -79.3 -54.9 26.2 48.0 9.3 306 94 B V H X S+ 0 0 0 -4,-2.0 4,-3.4 1,-0.2 -2,-0.2 0.918 112.6 55.8 -57.9 -37.6 22.8 47.0 8.1 307 95 B E H X S+ 0 0 26 -4,-3.1 4,-3.0 -5,-0.3 5,-0.2 0.958 105.4 50.3 -62.5 -52.1 21.5 50.5 9.0 308 96 B D H X S+ 0 0 46 -4,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.875 116.8 40.4 -52.3 -44.5 24.1 52.3 6.9 309 97 B L H >X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 3,-0.7 0.978 113.3 54.5 -68.9 -52.8 23.3 50.2 3.9 310 98 B R H 3X S+ 0 0 6 -4,-3.4 4,-2.3 1,-0.3 -2,-0.2 0.876 106.3 52.8 -50.0 -38.4 19.5 50.3 4.6 311 99 B C H 3X S+ 0 0 54 -4,-3.0 4,-1.4 1,-0.2 -1,-0.3 0.912 109.5 48.9 -69.3 -36.6 19.7 54.1 4.6 312 100 B K H X S+ 0 0 3 -4,-2.2 4,-1.9 1,-0.2 3,-0.6 0.944 105.5 54.4 -54.7 -51.9 18.8 51.6 -0.3 314 102 B I H 3X S+ 0 0 56 -4,-2.3 4,-2.0 1,-0.2 5,-0.4 0.858 102.9 57.7 -50.8 -39.8 16.2 54.1 0.8 315 103 B S H 3X S+ 0 0 69 -4,-1.4 4,-2.0 2,-0.2 5,-0.3 0.889 111.4 41.5 -61.4 -42.4 18.1 56.8 -1.2 316 104 B L H XX>S+ 0 0 12 -4,-1.5 4,-2.5 -3,-0.6 5,-0.9 0.980 114.1 50.5 -61.1 -73.1 17.7 54.7 -4.4 317 105 B I H 3<5S+ 0 0 0 -4,-1.9 101,-0.2 1,-0.3 -2,-0.2 0.630 127.2 21.8 -45.8 -32.0 14.1 53.6 -3.8 318 106 B Y H 3<5S+ 0 0 91 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.714 132.6 29.2-113.0 -21.0 12.8 57.1 -3.1 319 107 B T H <<5S+ 0 0 108 -4,-2.0 -3,-0.2 -3,-0.6 -2,-0.2 0.491 132.0 3.3-123.3 4.9 15.2 59.5 -4.7 320 108 B N T X>S+ 0 0 86 -4,-2.5 4,-2.6 -5,-0.3 5,-0.6 0.226 70.9 141.3-173.3 32.1 16.9 58.0 -7.7 321 109 B Y H >45S+ 0 0 64 1,-0.1 3,-0.7 2,-0.1 4,-0.4 0.938 125.9 41.0 -76.5 -48.5 18.9 56.4 -13.0 324 112 B G H 3X5S+ 0 0 16 -4,-2.6 4,-2.3 1,-0.2 -3,-0.2 0.780 90.6 83.3 -77.7 -28.7 20.9 55.2 -9.9 325 113 B K H 3X S+ 0 0 120 -3,-0.7 4,-0.7 -4,-0.3 3,-0.3 0.972 108.7 31.3 -51.9 -76.5 22.5 51.1 -12.5 327 115 B D H >> S+ 0 0 106 -4,-0.4 4,-3.4 1,-0.2 3,-1.0 0.813 111.0 70.8 -60.4 -32.4 25.5 52.0 -10.3 328 116 B Y H 3X S+ 0 0 24 -4,-2.3 4,-2.1 1,-0.3 3,-0.4 0.935 100.5 42.5 -51.7 -62.1 23.8 50.6 -7.2 329 117 B V H 3< S+ 0 0 55 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.626 116.2 51.4 -70.2 -2.7 24.0 46.9 -8.2 330 118 B K H << S+ 0 0 164 -3,-1.0 4,-0.3 -4,-0.7 -1,-0.3 0.892 113.7 42.4 -88.4 -43.2 27.5 47.6 -9.4 331 119 B A H >X S+ 0 0 48 -4,-3.4 4,-0.9 -3,-0.4 3,-0.8 0.712 94.4 87.4 -74.4 -22.0 28.6 49.2 -6.0 332 120 B L H >X S+ 0 0 4 -4,-2.1 4,-2.2 -5,-0.3 3,-1.8 0.884 74.2 62.4 -49.0 -56.2 26.7 46.5 -4.1 333 121 B P H 3> S+ 0 0 56 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.824 106.3 47.0 -46.7 -35.6 29.6 43.8 -3.8 334 122 B G H <4 S+ 0 0 50 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.778 114.0 48.8 -77.0 -26.4 31.9 46.1 -1.8 335 123 B Q H << S+ 0 0 76 -3,-1.8 4,-0.4 -4,-0.9 -1,-0.2 0.770 113.6 44.5 -80.5 -32.3 28.9 47.1 0.4 336 124 B L H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.598 93.5 89.5 -87.5 -7.1 27.9 43.4 1.1 337 125 B K H X S+ 0 0 112 -4,-0.7 4,-1.9 -5,-0.4 3,-0.5 0.924 77.9 56.4 -53.9 -52.8 31.5 42.5 1.6 338 126 B P H > S+ 0 0 14 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.888 106.0 49.2 -52.9 -51.9 31.7 43.2 5.5 339 127 B F H > S+ 0 0 3 -4,-0.4 4,-2.6 2,-0.2 5,-0.3 0.931 109.0 54.2 -53.7 -38.8 28.9 40.8 6.4 340 128 B E H X S+ 0 0 28 -4,-1.5 4,-1.7 -3,-0.5 -1,-0.2 0.931 111.6 45.2 -65.0 -38.3 30.6 38.1 4.2 341 129 B T H X S+ 0 0 58 -4,-1.9 4,-1.7 2,-0.2 3,-0.4 0.975 110.4 55.2 -59.9 -54.5 33.8 38.7 6.3 342 130 B L H >X S+ 0 0 18 -4,-3.1 4,-2.1 1,-0.3 3,-0.6 0.876 106.8 48.9 -52.7 -53.0 31.8 38.7 9.5 343 131 B L H 3<>S+ 0 0 0 -4,-2.6 6,-3.4 1,-0.2 5,-0.8 0.910 107.3 55.3 -55.4 -43.4 30.2 35.3 8.9 344 132 B S H 3X5S+ 0 0 72 -4,-1.7 4,-0.5 -3,-0.4 -1,-0.2 0.866 111.1 44.9 -61.7 -32.2 33.6 33.7 8.0 345 133 B Q H <<5S+ 0 0 147 -4,-1.7 2,-1.8 -3,-0.6 -1,-0.2 0.845 102.0 70.9 -75.8 -31.9 35.0 34.9 11.4 346 134 B N T <>S- 0 0 30 -4,-2.1 5,-0.5 -5,-0.2 3,-0.4 -0.590 139.2 -53.5 -94.3 81.3 31.9 33.7 13.2 347 135 B Q T >45S- 0 0 120 -2,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.564 98.8 -64.7 66.9 16.2 32.4 30.0 13.0 348 136 B G T 3< S- 0 0 5 3,-0.2 3,-0.6 -8,-0.0 -1,-0.3 -0.959 124.3 -45.1-130.1 116.1 27.1 37.5 16.0 355 143 B G T 3 S- 0 0 7 -2,-0.5 -3,-0.7 1,-0.2 4,-0.1 -0.247 86.5 -61.2 68.3-154.1 27.8 34.4 18.2 356 144 B D T 3 S+ 0 0 90 -5,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.028 107.7 73.5-124.9 38.3 25.6 31.3 18.2 357 145 B Q S < S- 0 0 132 -3,-0.6 -3,-0.2 -69,-0.0 -67,-0.1 -0.988 90.0 -99.2-140.5 141.1 22.2 32.4 19.3 358 146 B I - 0 0 20 -2,-0.3 2,-0.3 -6,-0.1 -68,-0.3 -0.228 44.4-171.6 -58.8 150.4 19.8 34.5 17.0 359 147 B S > - 0 0 2 -70,-0.1 4,-1.0 -71,-0.1 -70,-0.2 -0.835 43.4 -98.8-135.4 176.7 19.8 38.2 17.7 360 148 B F H > S+ 0 0 0 -72,-1.8 4,-1.2 -2,-0.3 5,-0.1 0.652 122.3 63.6 -73.6 -13.8 17.8 41.2 16.6 361 149 B A H > S+ 0 0 0 2,-0.2 4,-2.5 -73,-0.2 5,-0.3 0.892 94.5 57.7 -80.0 -37.1 20.7 41.8 14.1 362 150 B D H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.907 108.3 49.3 -56.1 -34.4 20.1 38.5 12.3 363 151 B Y H X S+ 0 0 0 -4,-1.0 4,-1.1 1,-0.2 -1,-0.2 0.864 112.0 44.0 -77.3 -33.3 16.6 39.8 11.7 364 152 B N H X S+ 0 0 6 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.824 117.2 46.7 -82.5 -29.7 17.5 43.2 10.3 365 153 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.976 108.4 55.4 -72.0 -54.6 20.3 41.8 8.1 366 154 B L H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.850 111.6 45.0 -45.1 -41.6 18.2 38.9 6.7 367 155 B D H X S+ 0 0 2 -4,-1.1 4,-3.0 2,-0.2 5,-0.3 0.938 109.8 51.8 -69.8 -46.5 15.6 41.4 5.5 368 156 B L H X S+ 0 0 0 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.871 114.1 47.9 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